Geometry & MOs

Info

ID:	55299
PubChem CID:	17390024
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	177.030504
ΔH_f, kcal/mol:	48.87
Dipole, Da:	1.62
IP(EA), eV:	-9.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-1H-pyrazole-5-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C=O

DOS

IR

Vibrations